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methyl 4-{5-[(1E)-3-amino-2-cyano-3-oxo-1-propenyl]-2-furyl}benzoate
SpectraBase Compound ID 9VuQb1uos1z
InChI InChI=1S/C16H12N2O4/c1-21-16(20)11-4-2-10(3-5-11)14-7-6-13(22-14)8-12(9-17)15(18)19/h2-8H,1H3,(H2,18,19)/b12-8+
InChIKey IROARFBYJUZQHV-XYOKQWHBSA-N
Mol Weight 296.28 g/mol
Molecular Formula C16H12N2O4
Exact Mass 296.079707 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1TTpDqqOPqv
Name methyl 4-{5-[(1E)-3-amino-2-cyano-3-oxo-1-propenyl]-2-furyl}benzoate
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C16H12N2O4/c1-21-16(20)11-4-2-10(3-5-11)14-7-6-13(22-14)8-12(9-17)15(18)19/h2-8H,1H3,(H2,18,19)/b12-8+
InChIKey IROARFBYJUZQHV-XYOKQWHBSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_659
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: UZI/1007630; UBI_ID: UBI-000660
Synonyms methyl 4-{5-[3-amino-2-cyano-3-oxo-1-propenyl]-2-furyl}benzoate
Temperature 318 °C